Geometry & MOs

Info

ID:	198277
PubChem CID:	79079797
Reduced:	SN3O4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	293.221561
ΔH_f, kcal/mol:	-122.1
Dipole, Da:	7.67
IP(EA), eV:	-9.04(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-methyl-5-propan-2-ylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

C1CC2COC(CN2C1)CNCC3=CC=C(O3)S(=O)(=O)N

DOS

IR

Vibrations